Because of electrolytic breakdown at high voltages, water has been difficult to study in high-field environments.  Novel scanning electrochemical microscopy (SECM) techniques have been able to push electrode separations to only a few nm, allowing the application of fields in excess of 108 V/m.  We present the results of computer simulations of the structural, dynamic, and spectroscopic properties of simple water models (SPC/E, TIP4P, SSD/E) under large static electric fields. Of particular interest are the local ordering properties (tetrahedrality, hydrogen bonding statistics, and rotational correlation times) which can indicate changes local environment for OH stretching.  We are also applying the fluctuating frequency approximation [Skinner, J. L. J. Chem. Phys. 2008] to predict Raman spectra for direct comparison with experimental data being collected via SECM.

Electric field affects on water through Raman spectroscopy

246th National Meeting (2013)

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